Geometry & MOs

Info

ID:	422376
PubChem CID:	135117711
Reduced:	O4N6C19H24 (1)
Stoich.:	A4B6C19D24 (1)
Weight, g/mol:	311.210996
ΔH_f, kcal/mol:	-72.43
Dipole, Da:	6.02
IP(EA), eV:	-9.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(2-methylindol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CO[C@@H]1CCN2C[C@@H]1NC(=O)CCC3=CN(CCOC4=C(C2=O)N=CC=C4)N=N3

DOS

IR

Vibrations